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KLi2CO3F: a beryllium-free KBBF-type deep-UV carbonate with an enhanced interlayer interaction and large birefringence
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2022-05-30 , DOI: 10.1039/d2qi00625a Qiang Wang 1 , Wen Song 1 , Yang Lan 1 , Liling Cao 1 , Ling Huang 1 , Daojiang Gao 1 , Jian Bi 1 , Guohong Zou 2
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2022-05-30 , DOI: 10.1039/d2qi00625a Qiang Wang 1 , Wen Song 1 , Yang Lan 1 , Liling Cao 1 , Ling Huang 1 , Daojiang Gao 1 , Jian Bi 1 , Guohong Zou 2
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KBe2BO3F2 (KBBF) with a perfect honeycomb hexagonal layered structure is the sole practical deep-ultraviolet (DUV) nonlinear optical material which could generate DUV coherent light through direct frequency doubling. However, the layered growth habit and the toxicity of Be severely hinder its extensive applications. Herein, a non-centrosymmetric fluoride carbonate, KLi2CO3F, was successfully developed via chemical co-substitution with KBBF as the prototype. KLi2CO3F preserves the structural merits of KBBF, containing neatly arranged infinite planar [Li2CO3F2]∞ layers. In particular, compared with the weak interlayer K–F electrostatic attraction in KBBF, KLi2CO3F presents a stronger interlayer binding energy induced by the shorter and stronger Li–F bonds, which effectively overcomes the layered tendency of crystal growth. Simultaneously, KLi2CO3F exhibits a large birefringence of approximately 0.102@546 nm and a short ultraviolet absorption edge down to 190 nm, indicating that it is a promising DUV birefringent material.
中文翻译：
KLi2CO3F：一种无铍 KBBF 型深紫外碳酸盐，具有增强的层间相互作用和大的双折射
KBe 2 BO 3 F 2 (KBBF)具有完美的蜂窝六角层状结构，是目前唯一一种可通过直接倍频产生DUV相干光的实用深紫外(DUV)非线性光学材料。然而，Be的层状生长习性和毒性严重阻碍了其广泛应用。在此，以KBBF为原型，通过化学共取代成功开发了一种非中心对称的氟化碳酸盐KLi 2 CO 3 F。KLi 2 CO 3 F 保留了 KBBF 的结构优点，包含整齐排列的无限平面 [Li 2 CO 3 F 2] ∞层。特别是，与KBBF中较弱的层间K-F静电吸引力相比，KLi 2 CO 3 F由于Li-F键越来越短而呈现出更强的层间结合能，有效地克服了晶体生长的层状趋势。同时，KLi 2 CO 3 F表现出约0.102@546 nm的大双折射和低至190 nm的短紫外吸收边，表明它是一种很有前途的深紫外双折射材料。
更新日期：2022-05-30
中文翻译：
KLi2CO3F：一种无铍 KBBF 型深紫外碳酸盐，具有增强的层间相互作用和大的双折射
KBe 2 BO 3 F 2 (KBBF)具有完美的蜂窝六角层状结构，是目前唯一一种可通过直接倍频产生DUV相干光的实用深紫外(DUV)非线性光学材料。然而，Be的层状生长习性和毒性严重阻碍了其广泛应用。在此，以KBBF为原型，通过化学共取代成功开发了一种非中心对称的氟化碳酸盐KLi 2 CO 3 F。KLi 2 CO 3 F 保留了 KBBF 的结构优点，包含整齐排列的无限平面 [Li 2 CO 3 F 2] ∞层。特别是，与KBBF中较弱的层间K-F静电吸引力相比，KLi 2 CO 3 F由于Li-F键越来越短而呈现出更强的层间结合能，有效地克服了晶体生长的层状趋势。同时，KLi 2 CO 3 F表现出约0.102@546 nm的大双折射和低至190 nm的短紫外吸收边，表明它是一种很有前途的深紫外双折射材料。
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